| SpectraBase Spectrum ID |
6LfpzWB09pV |
| Name |
Benzoate |
| CAS Registry Number |
2049-96-9 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3 |
| InChIKey |
QKNZNUNCDJZTCH-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| Number of Peaks |
49 |
| RI1 |
1476 |
| RI2 |
1154 |
| SMILES |
C(c1ccccc1)(=O)OCCCCC |
| SPLASH |
splash10-05fr-6900000000-28c04f61eb401f060fc2 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Benzoic acid, pentyl ester |
| Wiley ID |
LM_FFNSC3_1731 |
